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([1,2,4]Triazolo[1,5-c]quinazolin-2-ylthio)acetic Acid
SpectraBase Compound ID J8nkIsuAyuK
InChI InChI=1S/C11H8N4O2S/c16-9(17)5-18-11-13-10-7-3-1-2-4-8(7)12-6-15(10)14-11/h1-4,6H,5H2,(H,16,17)
InChIKey ZWIWPCSAVQVTBA-UHFFFAOYSA-N
Mol Weight 260.27 g/mol
Molecular Formula C11H8N4O2S
Exact Mass 260.036797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ID5VMf0E26
Name (1,2,4-TRIAZOLO-[1,5-C]-QUINAZOLIN-2-YLTHIO)-ACETIC-ACID
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H8N4O2S
InChI InChI=1S/C11H8N4O2S/c16-9(17)5-18-11-13-10-7-3-1-2-4-8(7)12-6-15(10)14-11/h1-4,6H,5H2,(H,16,17)
InChIKey ZWIWPCSAVQVTBA-UHFFFAOYSA-N
Literature Reference Author L.ANTIPENKO,A.KARPENKO,S.KOVALENKO,A.KATSEV,E.KOMAROSKA-PORP KHNYAVETS,V.NOVIKOV,
Literature Reference Citation CHEM.PHARM.BULL.,57,580(2009)
Literature Reference DOI 10.1248/cpb.57.580
Molecular Weight 260.270 g/mol
Sample ID 2479
Solvent DMSO-D6